(2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane

C15H18F2O2 — CID 69186082

IUPAC(2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane
SMILESC=C(c1cc(F)ccc1F)C(C)O[C@H]1CCCCO1
InChIInChI=1S/C15H18F2O2/c1-10(13-9-12(16)6-7-14(13)17)11(2)19-15-5-3-4-8-18-15/h6-7,9,11,15H,1,3-5,8H2,2H3/t11?,15-/m0/s1
InChIKeyVFAQNMVHYHWUKR-MHTVFEQDSA-N
MW268.30 g/mol
LogP3.91
Rot. Bonds4

About (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane

(2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane (PubChem CID 69186082) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane.

Molecular Properties

Compound Name(2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane
PubChem CID69186082
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name(2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane
SMILESC=C(c1cc(F)ccc1F)C(C)O[C@H]1CCCCO1
InChIInChI=1S/C15H18F2O2/c1-10(13-9-12(16)6-7-14(13)17)11(2)19-15-5-3-4-8-18-15/h6-7,9,11,15H,1,3-5,8H2,2H3/t11?,15-/m0/s1
InChIKeyVFAQNMVHYHWUKR-MHTVFEQDSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 118421064
1-(2,5-difluorophenyl)-2-(oxan-2-yloxy)propan-1-one
CID 16662814
2-[(1R)-1-[(2R)-2-(2,5-difluorophenyl)oxiran-2-yl]ethoxy]oxane
CID 58224184
2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane
CID 10085270
2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide
CID 54203855
2-(2,5-difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18367686
4-(2,5-difluorophenyl)-4-(oxan-2-yloxy)-3-phenylbutan-2-one
CID 68869589
2-(oxan-2-yloxy)propanoic acid
CID 542280
1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]propan-1-one
CID 67803276
2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
(2R)-N'-[5-[3-(2,5-difluorophenyl)-1-hydroxy-2-(3H-indol-2-yl)-3-oxoprop-1-enyl]-2-fluorophenyl]sulfonyl-2-hydroxypropanimidamide;(2R)-N'-[5-[3-(2,5-difluorophenyl)-1-hydroxy-2-(3H-indol-2-yl)-3-oxoprop-1-enyl]-2-fluorophenyl]sulfonyl-2-(oxan-2-yloxy)propanimidamide
CID 161360718
(E)-1-(2,5-difluorophenyl)-6-(oxan-2-yloxy)-3-phenylhex-2-en-1-one
CID 59303190

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane?
The IUPAC name of (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane (CID 69186082) is (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane.
What is the SMILES notation for (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane?
The canonical SMILES for (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane is C=C(c1cc(F)ccc1F)C(C)O[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane?
The InChIKey is VFAQNMVHYHWUKR-MHTVFEQDSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-10(13-9-12(16)6-7-14(13)17)11(2)19-15-5-3-4-8-18-15/h6-7,9,11,15H,1,3-5,8H2,2H3/t11?,15-/m0/s1.
What are the key properties of (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane?
(2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane has a molecular weight of 268.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2,5-difluorophenyl)but-3-en-2-yloxy]oxane is sourced from PubChem (CID 69186082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).